CAS RN: 57734-57-3
(2-Pyrrolidinyl)methylamine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS57734-57-3
- Purity/Analytical Methods: >99.0%
57734-57-3 / pyrrolidin-2-ylmethanamine
Basic Information
CAS
57734-57-3
Multi CAS
Yes
Molecular Formula
C5H12N2
Molecular Weight
100.160000
Exact Mass
100.100048
InChI
InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2
InChIKey
AUKXFNABVHIUAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.08
TPSA
38.05
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.28
XLogP3
-0.6
Consensus LogP
-0.39
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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